SCHEMBL6981763

SCHEMBL6981763

NCc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CREBBP Q92793 1/20 0.54
NR3C1 P04150 8/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 3/20 0.52
TP53 P04637 3/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6982229 0.91 NR3C1 (0.60) NR3C1SMN1; SMN2MAPTTP53LMNA
SCHEMBL6977840 0.90 NR3C1 (0.53) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6982759 0.90 BRD4 (0.53) BRD4CREBBPNR3C1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6986046 0.89 NR3C1 (0.52) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6981550 0.82 BRD4 (0.57) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6982493 0.82 NR3C1 (0.50) BRD4CREBBPNR3C1SMN1; SMN2
SCHEMBL6984828 0.81 NR3C1 (0.56) BRD4CREBBPNR3C1SMN1; SMN2KMT2A
SCHEMBL6981764 0.81 METAP2 (0.42) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL6985746 0.81 KMT2A (0.56) BRD4CREBBPNR3C1SMN1; SMN2MAPT
SCHEMBL6985865 0.81 MAPT (0.56) NR3C1SMN1; SMN2MAPTTP53LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228058-B1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-12-10 EP disclosed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed